About 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 135241790) has the molecular formula C28H26FN9O2S
and a molecular weight of 571.64 g/mol. Its IUPAC name is 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.
Molecular Properties
| Compound Name | 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile |
|---|
| PubChem CID | 135241790 |
|---|
| Molecular Formula | C28H26FN9O2S |
|---|
| Molecular Weight | 571.64 g/mol |
|---|
| Exact Mass | 571.19 |
|---|
| IUPAC Name | 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile |
|---|
| SMILES | Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(CCS(=O)(=O)c5ccc(F)cc5)CC4)nc3)n2)cn1 |
|---|
| InChI | InChI=1S/C28H26FN9O2S/c1-35-18-22(17-32-35)25-19-38-28(21(14-30)16-33-38)27(34-25)20-2-7-26(31-15-20)37-10-8-36(9-11-37)12-13-41(39,40)24-5-3-23(29)4-6-24/h2-7,15-19H,8-13H2,1H3 |
|---|
| InChIKey | FIAAWOUXWKHOOI-UHFFFAOYSA-N |
|---|
| XLogP | 2.80 |
|---|
| TPSA | 125.31 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 11 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 41 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 571.64 |
| LogP ≤ 5 | 2.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 135241790) is 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(CCS(=O)(=O)c5ccc(F)cc5)CC4)nc3)n2)cn1.
What is the InChIKey of 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is FIAAWOUXWKHOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN9O2S/c1-35-18-22(17-32-35)25-19-38-28(21(14-30)16-33-38)27(34-25)20-2-7-26(31-15-20)37-10-8-36(9-11-37)12-13-41(39,40)24-5-3-23(29)4-6-24/h2-7,15-19H,8-13H2,1H3.
What are the key properties of 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 571.64 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 135241790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).